N-(5-chloro-2-methylphenyl)-2-[ethyl-[2-[(4-methoxyphenyl)methyl-methylamino]acetyl]amino]acetamide

C22H28ClN3O3 — CID 8793283

IUPACN-(5-chloro-2-methylphenyl)-2-[ethyl-[2-[(4-methoxyphenyl)methyl-methylamino]acetyl]amino]acetamide
SMILESCCN(CC(=O)Nc1cc(Cl)ccc1C)C(=O)CN(C)Cc1ccc(OC)cc1
InChIInChI=1S/C22H28ClN3O3/c1-5-26(14-21(27)24-20-12-18(23)9-6-16(20)2)22(28)15-25(3)13-17-7-10-19(29-4)11-8-17/h6-12H,5,13-15H2,1-4H3,(H,24,27)
InChIKeyCRTVFWYUBXAGKU-UHFFFAOYSA-N
MW417.94 g/mol
LogP3.58
Rot. Bonds9

About N-(5-chloro-2-methylphenyl)-2-[ethyl-[2-[(4-methoxyphenyl)methyl-methylamino]acetyl]amino]acetamide

N-(5-chloro-2-methylphenyl)-2-[ethyl-[2-[(4-methoxyphenyl)methyl-methylamino]acetyl]amino]acetamide (PubChem CID 8793283) has the molecular formula C22H28ClN3O3 and a molecular weight of 417.94 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-2-[ethyl-[2-[(4-methoxyphenyl)methyl-methylamino]acetyl]amino]acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-2-[ethyl-[2-[(4-methoxyphenyl)methyl-methylamino]acetyl]amino]acetamide
PubChem CID8793283
Molecular FormulaC22H28ClN3O3
Molecular Weight417.94 g/mol
Exact Mass417.18
IUPAC NameN-(5-chloro-2-methylphenyl)-2-[ethyl-[2-[(4-methoxyphenyl)methyl-methylamino]acetyl]amino]acetamide
SMILESCCN(CC(=O)Nc1cc(Cl)ccc1C)C(=O)CN(C)Cc1ccc(OC)cc1
InChIInChI=1S/C22H28ClN3O3/c1-5-26(14-21(27)24-20-12-18(23)9-6-16(20)2)22(28)15-25(3)13-17-7-10-19(29-4)11-8-17/h6-12H,5,13-15H2,1-4H3,(H,24,27)
InChIKeyCRTVFWYUBXAGKU-UHFFFAOYSA-N
XLogP3.58
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.94
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(5-chloro-2-methylphenyl)-2-[ethyl-[2-[(4-methoxyphenyl)methyl-methylamino]acetyl]amino]acetamide with MolForge

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Related Compounds

N-(5-chloro-2-methylphenyl)-2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]acetamide
CID 9053943
N-(5-chloro-2-methylphenyl)-2-[ethyl-[2-(4-methoxyphenyl)sulfanylacetyl]amino]acetamide
CID 8908053
N-(5-chloro-2-methylphenyl)-2-[ethyl-[2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetyl]amino]acetamide
CID 8804445
N-(5-chloro-2-fluorophenyl)-2-[(4-methoxyphenyl)methyl-methylamino]acetamide;oxalic acid
CID 17401827
N-(2,5-dichlorophenyl)-2-[(4-ethoxyphenyl)methyl-methylamino]acetamide
CID 8024067
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[(4-methoxyphenyl)methyl-methylamino]acetamide
CID 27197689
N-(3-chloro-4-methylphenyl)-2-[(4-methoxyphenyl)methyl-methylamino]acetamide
CID 8761370
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-[(4-methoxyphenyl)methyl-methylamino]acetamide
CID 8761278
N-(5-chloro-2-methylphenyl)-2-[ethyl-[2-(2-methylphenoxy)acetyl]amino]acetamide
CID 7761058
N-(2,5-difluorophenyl)-2-[(4-methoxyphenyl)methyl-methylamino]acetamide
CID 8778357
2-[(4-methoxyphenyl)methyl-methylamino]-N-(2,4,6-trichlorophenyl)acetamide
CID 8761436
N-(5-chloro-2-methoxyphenyl)-2-[3-(4-methoxyphenyl)propyl-methylamino]acetamide
CID 60561036

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-2-[ethyl-[2-[(4-methoxyphenyl)methyl-methylamino]acetyl]amino]acetamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-2-[ethyl-[2-[(4-methoxyphenyl)methyl-methylamino]acetyl]amino]acetamide (CID 8793283) is N-(5-chloro-2-methylphenyl)-2-[ethyl-[2-[(4-methoxyphenyl)methyl-methylamino]acetyl]amino]acetamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-2-[ethyl-[2-[(4-methoxyphenyl)methyl-methylamino]acetyl]amino]acetamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-2-[ethyl-[2-[(4-methoxyphenyl)methyl-methylamino]acetyl]amino]acetamide is CCN(CC(=O)Nc1cc(Cl)ccc1C)C(=O)CN(C)Cc1ccc(OC)cc1.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-2-[ethyl-[2-[(4-methoxyphenyl)methyl-methylamino]acetyl]amino]acetamide?
The InChIKey is CRTVFWYUBXAGKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28ClN3O3/c1-5-26(14-21(27)24-20-12-18(23)9-6-16(20)2)22(28)15-25(3)13-17-7-10-19(29-4)11-8-17/h6-12H,5,13-15H2,1-4H3,(H,24,27).
What are the key properties of N-(5-chloro-2-methylphenyl)-2-[ethyl-[2-[(4-methoxyphenyl)methyl-methylamino]acetyl]amino]acetamide?
N-(5-chloro-2-methylphenyl)-2-[ethyl-[2-[(4-methoxyphenyl)methyl-methylamino]acetyl]amino]acetamide has a molecular weight of 417.94 g/mol, XLogP of 3.58, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-2-[ethyl-[2-[(4-methoxyphenyl)methyl-methylamino]acetyl]amino]acetamide is sourced from PubChem (CID 8793283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).